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Progress in molecular-simulation-based research on the effects of interface-induced fluid microstructures on flow resistance
College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, P.R. China.
College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, P.R. China.
College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, P.R. China.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science. College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing, P.R. China.ORCID iD: 0000-0003-4690-1229
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2019 (English)In: Chinese Journal of Chemical Engineering, ISSN 1004-9541, E-ISSN 2210-321X, Vol. 27, no 6, p. 1403-1415Article in journal (Refereed) Published
Abstract [en]

In modern chemical engineering processes, solid interface involvement is the most important component of process intensification techniques, such as nanoporous membrane separation and heterogeneous catalysis. The fundamental mechanism underlying interfacial transport remains incompletely understood given the complexity of heterogeneous interfacial molecular interactions and the high nonideality of the fluid involved. Thus, understanding the effects of interface-induced fluid microstructures on flow resistance is the first step in further understanding interfacial transport. Molecular simulation has become an indispensable method for the investigation of fluid microstructure and flow resistance. Here, we reviewed the recent research progress of our group and the latest relevant works to elucidate the contribution of interface-induced fluid microstructures to flow resistance. We specifically focused on water, ionic aqueous solutions, and alcohol–water mixtures given the ubiquity of these fluid systems in modern chemical engineering processes. We discussed the effects of the interface-induced hydrogen bond networks of water molecules, the ionic hydration of ionic aqueous solutions, and the spatial distributions of alcohol and alcohol–water mixtures on flow resistance on the basis of the distinctive characteristics of different fluid systems.

Place, publisher, year, edition, pages
Elsevier, 2019. Vol. 27, no 6, p. 1403-1415
National Category
Energy Engineering
Research subject
Energy Engineering
Identifiers
URN: urn:nbn:se:ltu:diva-73192DOI: 10.1016/j.cjche.2019.02.002ISI: 000477569200016OAI: oai:DiVA.org:ltu-73192DiVA, id: diva2:1296237
Note

Validerad;2019;Nivå 2;2019-08-20 (johcin)

Available from: 2019-03-14 Created: 2019-03-14 Last updated: 2019-08-20Bibliographically approved

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Gao, Qingwei

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